5SN6
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.139, 65.768, 84.530 |
Unit cell angles | 90.00, 93.79, 90.00 |
Refinement procedure
Resolution | 84.340 - 1.750 |
R-factor | 0.1859 |
Rwork | 0.184 |
R-free | 0.22460 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | None |
RMSD bond length | 0.009 |
RMSD bond angle | 1.501 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 84.340 | 84.340 | 1.840 |
High resolution limit [Å] | 1.750 | 5.520 | 1.750 |
Rmerge | 0.121 | 0.039 | 1.024 |
Rmeas | 0.145 | 0.046 | 1.293 |
Rpim | 0.079 | 0.025 | 0.778 |
Total number of observations | 244771 | 8211 | 29219 |
Number of reflections | 76300 | ||
<I/σ(I)> | 6.9 | 22.8 | 1 |
Completeness [%] | 99.4 | 98.9 | 99.5 |
Redundancy | 3.2 | 3.3 | 2.6 |
CC(1/2) | 0.994 | 0.997 | 0.433 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |